Sugi Predict

Sugi Predict / Compounds / SCHEMBL2408159

SCHEMBL2408159

SCHEMBL2408159

COC(=O)CN[C@H](C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.57
▸ CA12 O43570 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ CYP3A4 P08684 2/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ SMPD1 P17405 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ TBXA2R P21731 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ OPRM1 P35372 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6809830 1.00 APAF1 (0.57) APAF1CA12CA7CA9CA14
SCHEMBL2408156 1.00 APAF1 (0.57) APAF1CA12CA7CA9CA14
SCHEMBL1222340 0.90 MAPT (0.49) APAF1CA12CA7CA9CA14
SCHEMBL4676209 0.86 APAF1 (0.54) APAF1CA12CA7CA9CA14
SCHEMBL4676206 0.86 APAF1 (0.54) APAF1CA12CA7CA9CA14
SCHEMBL25297216 0.85 APAF1 (0.53) APAF1KMT2AMEN1CYP3A4CHRM2
SCHEMBL25831273 0.85 APAF1 (0.53) APAF1KMT2AMEN1CYP3A4CHRM2
SCHEMBL4680133 0.85 ALDH1A1 (0.53) APAF1KMT2AMEN1CYP3A4CHRM2
SCHEMBL13720968 0.84 ESR1 (0.45) APAF1CA12CA7CA9CA14
SCHEMBL22004286 0.84 MEN1 (0.43) APAF1KMT2AMEN1LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-12-26 — — US disclosed
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-06-06 — — US disclosed
EP-4119551-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2023-01-18 — — EP disclosed
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2022-12-13 — — US disclosed
EP-4086246-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS AS EGFR MODULATORS AstraZeneca AB (SE) 2022-11-09 — — EP disclosed
US-20210130318-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2021-05-06 — — US disclosed
US-10858336-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTAZENECA AB (SE) 2020-12-08 — — US disclosed
EP-3686194-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2020-07-29 — — EP disclosed
EP-3686193-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2020-07-29 — — EP disclosed
EP-3333161-B1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER ASTRAZENECA AB (SE) 2020-02-19 — — EP disclosed
EP-2188288-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE N-OXIDES Abbott Laboratories (US) 2010-05-26 — — EP disclosed
US-20090105267-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE N-OXIDES ABBOTT LABORATORIES (US) 2009-04-23 — — US disclosed
CN-101415709-A Octahydro-pyrrolo [3, 4-b ] pyrrole derivatives and their use as histamine-3 receptor ligands ABBOTT LAB (US) 2009-04-22 — — CN disclosed
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 — — US disclosed
WO-2009036132-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE N-OXIDES ABBOTT LABORATORIES (US) 2009-03-19 — — WO disclosed
EP-0945448-B1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES (JP) 2008-11-26 — — EP disclosed
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives ABBVIE INC. 2007-10-04 — — US disclosed
US-6051591-A Diazabicyclooctane derivatives MERCK SHARP & DOHME LTD. (GB) 2000-04-18 — — US disclosed
US-6020496-A 5-alkoxy-2(3H)-oxazolone compounds and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2000-02-01 — — US disclosed
EP-0945448-A1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1999-09-29 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210130318-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 APAF1 2987/4885CA12 4760/4885CA7 4508/4885
US-20090105267-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE N-OXIDES TACR1, HTR3A, OPRM1 APAF1 3472/4885CA12 3975/4885CA7 2555/4885
US-10858336-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 APAF1 2987/4885CA12 4760/4885CA7 4508/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 APAF1 3908/4885CA12 4283/4885CA7 3564/4885
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 APAF1 2987/4885CA12 4760/4885CA7 4508/4885
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 APAF1 2987/4885CA12 4760/4885CA7 4508/4885
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 APAF1 2987/4885CA12 4760/4885CA7 4508/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.